2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine

C18H23N3 — CID 63480001

IUPAC2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(-c2ccc(C)c(C)c2)nc2c1CCCC2
InChIInChI=1S/C18H23N3/c1-4-19-18-15-7-5-6-8-16(15)20-17(21-18)14-10-9-12(2)13(3)11-14/h9-11H,4-8H2,1-3H3,(H,19,20,21)
InChIKeyLDSBEYARHFTTQQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.07
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 63480001) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID63480001
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(-c2ccc(C)c(C)c2)nc2c1CCCC2
InChIInChI=1S/C18H23N3/c1-4-19-18-15-7-5-6-8-16(15)20-17(21-18)14-10-9-12(2)13(3)11-14/h9-11H,4-8H2,1-3H3,(H,19,20,21)
InChIKeyLDSBEYARHFTTQQ-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 63480001) is 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCNc1nc(-c2ccc(C)c(C)c2)nc2c1CCCC2.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is LDSBEYARHFTTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-4-19-18-15-7-5-6-8-16(15)20-17(21-18)14-10-9-12(2)13(3)11-14/h9-11H,4-8H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 63480001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).